beta-D-GalpNAc4S-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S (CHEBI:63855)

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CHEBI:63855 - β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S

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ChEBI ID	CHEBI:63855
ChEBI Name	β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S
Stars
ASCII Name	beta-D-GalpNAc4S-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S
Definition	An amino trisaccharide comprised of a glucuronic acid residue between two N-acetylated galactosamine residues, both of which are sulfated on O-4. It is an intermediate in the dermatan sulfate degradation pathway.
Last Modified	27 January 2016
Submitter	Bijay
Downloads	Molfile

Formula	C22H36N2O23S2
Net Charge	0
Average Mass	760.655
Monoisotopic Mass	760.11503
SMILES	CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](OS(=O)(=O)O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O
InChI	InChI=1S/C22H36N2O23S2/c1-5(27)23-9-11(29)14(46-48(35,36)37)7(3-25)42-21(9)44-17-12(30)13(31)22(45-18(17)19(32)33)43-16-10(24-6(2)28)20(34)41-8(4-26)15(16)47-49(38,39)40/h7-18,20-22,25-26,29-31,34H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,32,33)(H,35,36,37)(H,38,39,40)/t7-,8-,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+,20?,21+,22-/m1/s1
InChIKey	WNNJKYOXMQZNJR-PBFSGDTDSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Role:

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:63855) has role mouse metabolite (CHEBI:75771)
	β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:63855) is a amino trisaccharide (CHEBI:59266)
	β-D-GalpNAc4S-(1→4)-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:63855) is a oligosaccharide sulfate (CHEBI:37909)

IUPAC Names
2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-(β-D-glucopyranosyluronic acid)-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranose
2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranose

Synonyms	Source
GalNAc(S)-GlcA-GalNAc(S)	ChEBI
β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S	ChEBI

Manual Xrefs	Databases
G12336	KEGG GLYCAN